Marvin  07250717262D          

 12 12  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  2 11  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  9  3  1  0  0  0  0
  5  4  1  0  0  0  0
  8  4  1  0  0  0  0
  7  5  1  0  0  0  0
 10  2  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <ID>
CHEBI:39001

> <NAME>
hexamethylbenzene

> <DEFINITION>
A methylbenzene that is benzene in which all six hydrogens have been replaced by methyl groups.

> <STAR>
3

> <SYNONYM>
mellitene; Hexamethylbenzol; 1,2,3,4,5,6-hexamethylbenzene

> <IUPAC_NAME>
hexamethylbenzene

> <FORMULA>
C12H18

> <MASS>
162.27132

> <MONOISOTOPIC_MASS>
162.14085

> <CHARGE>
0

> <SMILES>
Cc1c(C)c(C)c(C)c(C)c1C

> <INCHI>
InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3

> <INCHIKEY>
YUWFEBAXEOLKSG-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1905834

> <CAS_REGISTRY_NUMBER>
87-85-4

> <GMELIN_REGISTRY_NUMBER>
3546

> <REAXYS_REGISTRY_NUMBER>
1905834

> <CHEMIDPLUS>
87-85-4

> <NIST_CHEMISTRY_WEBBOOK>
87-85-4

> <WIKIPEDIA_ACCESSION>
Hexamethylbenzene

> <PUBMED_CITATION>
23199339

$$$$